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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein phosphatase 5' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein phosphatase 5


(Homo sapiens)
BDBM50087856
PNG
(CHEMBL3426913)
Show SMILES CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1/C28H30F3NO6/c1-2-3-12-24(26(34)32-20-10-5-4-6-11-20)37-25-17-22(33)21(27(35)36)16-19(25)15-14-18-9-7-8-13-23(18)38-28(29,30)31/h7-9,13,16-17,20,24,33H,2-6,10-12H2,1H3,(H,32,34)(H,35,36)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of PP5 (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 5


(Homo sapiens)
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
PDB

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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 5


(Homo sapiens)
BDBM50112358
PNG
(CHEMBL3609374)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1/C28H23N3O6S/c32-26(25(38(35,36)37)21-9-5-2-6-10-21)29-23-15-17-24(18-16-23)31-28(34)27(33)30-22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,25H,(H,29,32)(H,30,33)(H,31,34)(H,35,36,37)
PDB

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PC sid
UniChem

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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 5


(Homo sapiens)
BDBM50112357
PNG
(CHEMBL3609375)
Show SMILES CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)C(c3ccccc3)S(O)(=O)=O)cc2)cc1
Show InChI InChI=1/C25H25N3O6S/c1-16(2)17-8-10-19(11-9-17)27-24(30)25(31)28-21-14-12-20(13-15-21)26-23(29)22(35(32,33)34)18-6-4-3-5-7-18/h3-16,22H,1-2H3,(H,26,29)(H,27,30)(H,28,31)(H,32,33,34)
PDB

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UniChem
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 5


(Homo sapiens)
BDBM50420258
PNG
(CEFSULODIN)
Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1
Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1/t15-,17?,21-/m1/s1
PDB

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)

More data for this
Ligand-Target Pair